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100313-25-5 | 4,7,10,13,16,19-Docosahexaenoic acid, hydroxy- (9CI)
CAS No: 100313-25-5 Catalog No: AG0001LS MDL No:
Product Description
Catalog Number:
AG0001LS
Chemical Name:
4,7,10,13,16,19-Docosahexaenoic acid, hydroxy- (9CI)
CAS Number:
100313-25-5
Molecular Formula:
C22H32O3
Molecular Weight:
344.4877
IUPAC Name:
2-hydroxydocosa-4,7,10,13,16,19-hexaenoic acid
InChI:
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h3-4,6-7,9-10,12-13,15-16,18-19,21,23H,2,5,8,11,14,17,20H2,1H3,(H,24,25)
InChI Key:
AEOZJGKPWBZKCY-UHFFFAOYSA-N
SMILES:
CCC=CCC=CCC=CCC=CCC=CCC=CCC(C(=O)O)O
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.235g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.495g/mol
Monoisotopic Mass:
344.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
6
XLogP3:
5.6
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